REMARK Name = BDB041117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.858 0.035 1.003 0.00 0.00 +0.163 A ATOM 2 N LIG 1 -4.401 -0.938 1.764 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -3.506 -1.867 2.158 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.167 -1.815 1.819 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -1.501 -2.884 2.345 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -2.426 -3.614 3.029 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.660 -0.782 1.041 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -3.671 -3.030 2.943 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.555 0.152 0.640 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.982 0.892 -0.130 0.00 0.00 -0.034 A ATOM 11 C LIG 1 -4.757 1.114 0.555 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -4.380 2.448 0.835 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.186 3.530 0.486 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -6.398 3.306 -0.151 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -6.792 2.003 -0.454 0.00 0.00 +0.004 A BRANCH 10 17 ATOM 16 C LIG 1 -6.854 -0.597 -2.007 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -6.448 -0.507 -0.530 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -7.591 -0.978 0.372 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 7 19 ATOM 19 N LIG 1 -0.312 -0.694 0.699 0.00 0.00 -0.322 N ATOM 20 H LIG 1 0.153 -1.593 0.787 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -0.039 0.017 -0.537 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 C LIG 1 1.444 -0.060 -0.827 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.353 0.673 -0.048 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.732 0.596 -0.291 0.00 0.00 -0.033 A ATOM 25 C LIG 1 4.701 1.406 0.519 0.00 0.00 +0.055 C ATOM 26 C LIG 1 6.048 0.696 0.582 0.00 0.00 +0.113 C ATOM 27 N LIG 1 6.543 0.352 -0.751 0.00 0.00 -0.295 N ATOM 28 C LIG 1 5.664 -0.282 -1.644 0.00 0.00 +0.247 C ATOM 29 O LIG 1 6.036 -0.878 -2.651 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 4.204 -0.208 -1.338 0.00 0.00 +0.040 A ATOM 31 C LIG 1 3.302 -0.942 -2.116 0.00 0.00 +0.013 A ATOM 32 C LIG 1 1.931 -0.874 -1.858 0.00 0.00 +0.006 A BRANCH 27 33 ATOM 33 C LIG 1 7.988 0.151 -0.959 0.00 0.00 +0.070 C ATOM 34 C LIG 1 8.488 -1.107 -0.247 0.00 0.00 +0.028 C ATOM 35 C LIG 1 8.821 1.373 -0.567 0.00 0.00 +0.028 C ENDBRANCH 27 33 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 7 19 TORSDOF 6